COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.267  -0.609  -2.955  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.422   0.489  -2.053  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.765   0.409  -0.866  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.990  -0.696  -0.573  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.316  -0.784   0.638  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.406   0.218   1.561  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.184   1.348   1.289  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.479   2.481   1.958  1.00  0.00           N  
HETATM    9  N   UNL     1      -4.260   3.207   1.238  1.00  0.00           N  
HETATM   10  N   UNL     1      -4.526   2.647   0.109  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.393   3.192  -0.938  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.864   1.444   0.062  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.476  -1.999   0.938  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.313  -3.262   0.727  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.514  -4.470   1.143  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.051  -5.696   1.045  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.390  -4.334   1.566  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.285  -2.026   0.016  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.464  -2.236  -1.339  1.00  0.00           C  
HETATM   20  C   UNL     1       0.629  -2.260  -2.185  1.00  0.00           C  
HETATM   21  C   UNL     1       1.901  -2.075  -1.677  1.00  0.00           C  
HETATM   22  C   UNL     1       3.092  -2.102  -2.599  1.00  0.00           C  
HETATM   23  C   UNL     1       2.080  -1.864  -0.323  1.00  0.00           C  
HETATM   24  C   UNL     1       3.467  -1.661   0.231  1.00  0.00           C  
HETATM   25  N   UNL     1       3.889  -0.278  -0.003  1.00  0.00           N  
HETATM   26  C   UNL     1       4.491   0.106  -1.276  1.00  0.00           C  
HETATM   27  C   UNL     1       3.667   1.128  -2.043  1.00  0.00           C  
HETATM   28  O   UNL     1       3.593   2.373  -1.341  1.00  0.00           O  
HETATM   29  C   UNL     1       2.488   2.555  -0.569  1.00  0.00           C  
HETATM   30  C   UNL     1       1.491   3.432  -0.980  1.00  0.00           C  
HETATM   31  C   UNL     1       0.346   3.573  -0.221  1.00  0.00           C  
HETATM   32  C   UNL     1       0.178   2.846   0.944  1.00  0.00           C  
HETATM   33  C   UNL     1       1.178   1.985   1.369  1.00  0.00           C  
HETATM   34  C   UNL     1       2.325   1.868   0.623  1.00  0.00           C  
HETATM   35  S   UNL     1       3.682   0.880   1.179  1.00  0.00           S  
HETATM   36  O   UNL     1       3.240   0.201   2.346  1.00  0.00           O  
HETATM   37  O   UNL     1       4.834   1.712   1.143  1.00  0.00           O  
HETATM   38  C   UNL     1       0.987  -1.835   0.523  1.00  0.00           C  
HETATM   39  H   UNL     1      -4.842  -0.418  -3.862  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.214  -0.723  -3.211  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.628  -1.522  -2.482  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.907  -1.499  -1.291  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.878   0.139   2.500  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.419   2.864  -0.768  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.352   4.281  -0.914  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.055   2.836  -1.912  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.134  -1.958   1.972  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.220  -3.201   1.328  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.581  -3.349  -0.326  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.500  -6.440   1.324  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.458  -2.380  -1.736  1.00  0.00           H  
HETATM   52  H   UNL     1       0.489  -2.425  -3.243  1.00  0.00           H  
HETATM   53  H   UNL     1       3.290  -1.096  -2.967  1.00  0.00           H  
HETATM   54  H   UNL     1       3.964  -2.468  -2.056  1.00  0.00           H  
HETATM   55  H   UNL     1       2.885  -2.763  -3.441  1.00  0.00           H  
HETATM   56  H   UNL     1       3.463  -1.863   1.303  1.00  0.00           H  
HETATM   57  H   UNL     1       4.159  -2.341  -0.264  1.00  0.00           H  
HETATM   58  H   UNL     1       5.478   0.526  -1.084  1.00  0.00           H  
HETATM   59  H   UNL     1       4.604  -0.785  -1.893  1.00  0.00           H  
HETATM   60  H   UNL     1       4.123   1.295  -3.019  1.00  0.00           H  
HETATM   61  H   UNL     1       2.658   0.738  -2.185  1.00  0.00           H  
HETATM   62  H   UNL     1       1.612   4.003  -1.889  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.426   4.257  -0.540  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.729   2.950   1.521  1.00  0.00           H  
HETATM   65  H   UNL     1       1.056   1.412   2.276  1.00  0.00           H  
HETATM   66  H   UNL     1       1.126  -1.667   1.581  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   12                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    6    6   13                                       
CONECT    6    7    5    5   43                                       
CONECT    7   12   12    8    6                                       
CONECT    8    9    9    7                                            
CONECT    9   10    8    8                                            
CONECT   10   11   12    9                                            
CONECT   11   10   44   45   46                                       
CONECT   12    3   10    7    7                                       
CONECT   13   14    5   18   47                                       
CONECT   14   15   13   48   49                                       
CONECT   15   17   17   16   14                                       
CONECT   16   15   50                                                 
CONECT   17   15   15                                                 
CONECT   18   13   38   38   19                                       
CONECT   19   18   20   20   51                                       
CONECT   20   19   19   21   52                                       
CONECT   21   23   23   20   22                                       
CONECT   22   21   53   54   55                                       
CONECT   23   38   24   21   21                                       
CONECT   24   23   25   56   57                                       
CONECT   25   26   24   35                                            
CONECT   26   27   25   58   59                                       
CONECT   27   28   26   60   61                                       
CONECT   28   27   29                                                 
CONECT   29   30   28   34   34                                       
CONECT   30   31   31   29   62                                       
CONECT   31   30   30   32   63                                       
CONECT   32   31   33   33   64                                       
CONECT   33   32   32   34   65                                       
CONECT   34   29   29   33   35                                       
CONECT   35   25   34   36   36                                       
CONECT   35   37   37                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38   18   18   23   66                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   38                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
